N-[2-[[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[2-[[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Openeye Name: N-[2-[[[2-(1-oxophthalazin-2-yl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide CAS Name: N-[2-[oxo-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]hydrazo]methyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[2-[[[2-(1-oxophthalazin-2-yl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[2-[[[2-(1-ketophthalazin-2-yl)acetyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide Formula: C21H17N5O5S2 MolecularWeight: 483.52018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN(C2=O)CC(=O)NNC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C=NN(C2=O)CC(=O)NNC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N5O5S2/c27-18(13-26-21(29)15-7-2-1-6-14(15)12-22-26)23-24-20(28)16-8-3-4-9-17(16)25-33(30,31)19-10-5-11-32-19/h1-12,25H,13H2,(H,23,27)(H,24,28)